2,6-dibromo-4-cyanophenolate

C7H2Br2NO- — CID 25201801

IUPAC2,6-dibromo-4-cyanophenolate
SMILESN#Cc1cc(Br)c([O-])c(Br)c1
InChIInChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H/p-1
InChIKeyUPMXNNIRAGDFEH-UHFFFAOYSA-M
MW275.91 g/mol
LogP2.16
Rot. Bonds

About 2,6-dibromo-4-cyanophenolate

2,6-dibromo-4-cyanophenolate (PubChem CID 25201801) has the molecular formula C7H2Br2NO- and a molecular weight of 275.91 g/mol. Its IUPAC name is 2,6-dibromo-4-cyanophenolate.

Molecular Properties

Compound Name2,6-dibromo-4-cyanophenolate
PubChem CID25201801
Molecular FormulaC7H2Br2NO-
Molecular Weight275.91 g/mol
Exact Mass273.85
IUPAC Name2,6-dibromo-4-cyanophenolate
SMILESN#Cc1cc(Br)c([O-])c(Br)c1
InChIInChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H/p-1
InChIKeyUPMXNNIRAGDFEH-UHFFFAOYSA-M
XLogP2.16
TPSA46.85 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.91
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-cyanophenolate?
The IUPAC name of 2,6-dibromo-4-cyanophenolate (CID 25201801) is 2,6-dibromo-4-cyanophenolate.
What is the SMILES notation for 2,6-dibromo-4-cyanophenolate?
The canonical SMILES for 2,6-dibromo-4-cyanophenolate is N#Cc1cc(Br)c([O-])c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-cyanophenolate?
The InChIKey is UPMXNNIRAGDFEH-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H/p-1.
What are the key properties of 2,6-dibromo-4-cyanophenolate?
2,6-dibromo-4-cyanophenolate has a molecular weight of 275.91 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-cyanophenolate is sourced from PubChem (CID 25201801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).